USER MOD reduce.3.24.130724 H: found=0, std=0, add=421, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= 0.383 X(o=0.38,f=-0.0096) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 11 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.47) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 15 SER OG : rot -132:sc= 0.954 USER MOD Single : A 16 SER OG : rot -42:sc= 1.05 USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= -5.2! (180deg=-5.41!) USER MOD Single : A 20 THR OG1 : rot 170:sc= 0.224 USER MOD Single : A 23 THR OG1 : rot -15:sc= 0.231 USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0681 F(o=-0.86,f=-0.068) USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= -2.07 (180deg=-3.41!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -124:sc= -3.79! (180deg=-5.96!) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.52! C(o=-5.1!,f=-3.5!) USER MOD Single : A 36 GLN :FLIP amide:sc= -3.52! C(o=-4!,f=-3.5!) USER MOD Single : A 42 SER OG : rot 68:sc= 0.00266 USER MOD Single : A 44 THR OG1 : rot 154:sc= -0.136 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0977 (180deg=-0.466) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 130:sc= 0.374 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.462 K(o=-0.46,f=-1.7) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00401 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0221 (180deg=-0.29) USER MOD ----------------------------------------------------------------- ATOM 37 N VAL A 3 37.062 19.040 -7.611 1.00 0.00 N ATOM 38 CA VAL A 3 36.794 19.122 -6.148 1.00 0.00 C ATOM 39 C VAL A 3 37.909 18.421 -5.359 1.00 0.00 C ATOM 40 O VAL A 3 38.524 17.482 -5.828 1.00 0.00 O ATOM 41 CB VAL A 3 35.403 18.469 -5.896 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.399 16.989 -6.366 1.00 0.00 C ATOM 43 CG2 VAL A 3 35.034 18.535 -4.401 1.00 0.00 C ATOM 0 HA VAL A 3 36.780 20.157 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 3 34.663 19.027 -6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.418 16.551 -6.181 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.621 16.945 -7.432 1.00 0.00 H new ATOM 0 HG13 VAL A 3 36.155 16.430 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.059 18.074 -4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.784 18.002 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.998 19.576 -4.081 1.00 0.00 H new ATOM 53 N CYS A 4 38.112 18.931 -4.173 1.00 0.00 N ATOM 54 CA CYS A 4 39.150 18.397 -3.243 1.00 0.00 C ATOM 55 C CYS A 4 38.532 17.924 -1.912 1.00 0.00 C ATOM 56 O CYS A 4 37.355 18.117 -1.673 1.00 0.00 O ATOM 57 CB CYS A 4 40.151 19.482 -2.933 1.00 0.00 C ATOM 58 SG CYS A 4 41.267 20.179 -4.171 1.00 0.00 S ATOM 0 H CYS A 4 37.584 19.720 -3.800 1.00 0.00 H new ATOM 0 HA CYS A 4 39.627 17.548 -3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.584 20.318 -2.524 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.781 19.100 -2.129 1.00 0.00 H new ATOM 63 N PRO A 5 39.351 17.314 -1.083 1.00 0.00 N ATOM 64 CA PRO A 5 39.139 17.249 0.369 1.00 0.00 C ATOM 65 C PRO A 5 39.827 18.415 1.110 1.00 0.00 C ATOM 66 O PRO A 5 40.475 19.235 0.483 1.00 0.00 O ATOM 67 CB PRO A 5 39.821 15.911 0.757 1.00 0.00 C ATOM 68 CG PRO A 5 40.465 15.390 -0.498 1.00 0.00 C ATOM 69 CD PRO A 5 40.587 16.585 -1.399 1.00 0.00 C ATOM 0 HA PRO A 5 38.084 17.313 0.634 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.563 16.065 1.540 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.091 15.200 1.144 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.441 14.953 -0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.859 14.610 -0.958 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.478 17.174 -1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.640 16.303 -2.451 1.00 0.00 H new ATOM 77 N PRO A 6 39.672 18.452 2.414 1.00 0.00 N ATOM 78 CA PRO A 6 40.396 19.400 3.284 1.00 0.00 C ATOM 79 C PRO A 6 41.906 19.387 3.010 1.00 0.00 C ATOM 80 O PRO A 6 42.442 18.357 2.653 1.00 0.00 O ATOM 81 CB PRO A 6 40.108 18.865 4.708 1.00 0.00 C ATOM 82 CG PRO A 6 39.554 17.494 4.493 1.00 0.00 C ATOM 83 CD PRO A 6 38.787 17.594 3.228 1.00 0.00 C ATOM 0 HA PRO A 6 40.078 20.431 3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 6 41.016 18.835 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.397 19.502 5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.349 16.753 4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.914 17.191 5.322 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.625 16.619 2.768 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.805 18.043 3.378 1.00 0.00 H new ATOM 91 N GLY A 7 42.527 20.524 3.180 1.00 0.00 N ATOM 92 CA GLY A 7 43.998 20.616 2.942 1.00 0.00 C ATOM 93 C GLY A 7 44.387 20.678 1.456 1.00 0.00 C ATOM 94 O GLY A 7 45.546 20.890 1.155 1.00 0.00 O ATOM 0 H GLY A 7 42.080 21.393 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.383 21.503 3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.484 19.754 3.399 1.00 0.00 H new ATOM 98 N GLN A 8 43.436 20.500 0.568 1.00 0.00 N ATOM 99 CA GLN A 8 43.748 20.544 -0.894 1.00 0.00 C ATOM 100 C GLN A 8 42.816 21.518 -1.615 1.00 0.00 C ATOM 101 O GLN A 8 41.679 21.711 -1.230 1.00 0.00 O ATOM 102 CB GLN A 8 43.585 19.131 -1.467 1.00 0.00 C ATOM 103 CG GLN A 8 44.545 18.143 -0.774 1.00 0.00 C ATOM 104 CD GLN A 8 44.303 16.725 -1.307 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.306 16.478 -2.497 1.00 0.00 O ATOM 106 NE2 GLN A 8 44.086 15.766 -0.448 1.00 0.00 N ATOM 0 H GLN A 8 42.457 20.326 0.795 1.00 0.00 H new ATOM 0 HA GLN A 8 44.771 20.891 -1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.556 18.797 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 8 43.781 19.144 -2.539 1.00 0.00 H new ATOM 0 HG2 GLN A 8 45.579 18.438 -0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 8 44.391 18.167 0.305 1.00 0.00 H new ATOM 0 HE21 GLN A 8 44.082 15.968 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.920 14.815 -0.777 1.00 0.00 H new ATOM 115 N THR A 9 43.361 22.098 -2.652 1.00 0.00 N ATOM 116 CA THR A 9 42.632 23.086 -3.503 1.00 0.00 C ATOM 117 C THR A 9 42.952 22.806 -4.981 1.00 0.00 C ATOM 118 O THR A 9 43.654 21.866 -5.304 1.00 0.00 O ATOM 119 CB THR A 9 43.100 24.490 -3.055 1.00 0.00 C ATOM 120 OG1 THR A 9 42.423 25.436 -3.869 1.00 0.00 O ATOM 121 CG2 THR A 9 44.597 24.700 -3.349 1.00 0.00 C ATOM 0 H THR A 9 44.319 21.920 -2.955 1.00 0.00 H new ATOM 0 HA THR A 9 41.550 23.016 -3.393 1.00 0.00 H new ATOM 0 HB THR A 9 42.905 24.597 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 42.694 26.342 -3.612 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.896 25.696 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 9 45.181 23.952 -2.813 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.775 24.600 -4.420 1.00 0.00 H new ATOM 129 N PHE A 10 42.418 23.646 -5.827 1.00 0.00 N ATOM 130 CA PHE A 10 42.637 23.503 -7.301 1.00 0.00 C ATOM 131 C PHE A 10 44.132 23.676 -7.633 1.00 0.00 C ATOM 132 O PHE A 10 44.877 24.270 -6.880 1.00 0.00 O ATOM 133 CB PHE A 10 41.790 24.569 -8.024 1.00 0.00 C ATOM 134 CG PHE A 10 41.922 24.412 -9.552 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.454 23.270 -10.180 1.00 0.00 C ATOM 136 CD2 PHE A 10 42.505 25.408 -10.316 1.00 0.00 C ATOM 137 CE1 PHE A 10 41.568 23.127 -11.547 1.00 0.00 C ATOM 138 CE2 PHE A 10 42.618 25.264 -11.683 1.00 0.00 C ATOM 139 CZ PHE A 10 42.150 24.124 -12.300 1.00 0.00 C ATOM 0 H PHE A 10 41.831 24.436 -5.558 1.00 0.00 H new ATOM 0 HA PHE A 10 42.334 22.510 -7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.745 24.473 -7.731 1.00 0.00 H new ATOM 0 HB3 PHE A 10 42.115 25.566 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 10 40.996 22.486 -9.595 1.00 0.00 H new ATOM 0 HD2 PHE A 10 42.874 26.304 -9.839 1.00 0.00 H new ATOM 0 HE1 PHE A 10 41.201 22.233 -12.028 1.00 0.00 H new ATOM 0 HE2 PHE A 10 43.074 26.046 -12.271 1.00 0.00 H new ATOM 0 HZ PHE A 10 42.239 24.012 -13.370 1.00 0.00 H new ATOM 149 N GLN A 11 44.503 23.143 -8.768 1.00 0.00 N ATOM 150 CA GLN A 11 45.914 23.200 -9.260 1.00 0.00 C ATOM 151 C GLN A 11 45.860 23.385 -10.781 1.00 0.00 C ATOM 152 O GLN A 11 44.808 23.266 -11.378 1.00 0.00 O ATOM 153 CB GLN A 11 46.642 21.876 -8.955 1.00 0.00 C ATOM 154 CG GLN A 11 46.589 21.491 -7.459 1.00 0.00 C ATOM 155 CD GLN A 11 47.288 22.513 -6.551 1.00 0.00 C ATOM 156 OE1 GLN A 11 48.326 23.052 -6.879 1.00 0.00 O ATOM 157 NE2 GLN A 11 46.758 22.806 -5.393 1.00 0.00 N ATOM 0 H GLN A 11 43.865 22.654 -9.395 1.00 0.00 H new ATOM 0 HA GLN A 11 46.446 24.016 -8.771 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.195 21.077 -9.547 1.00 0.00 H new ATOM 0 HB3 GLN A 11 47.683 21.960 -9.267 1.00 0.00 H new ATOM 0 HG2 GLN A 11 45.548 21.392 -7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 11 47.055 20.515 -7.324 1.00 0.00 H new ATOM 0 HE21 GLN A 11 45.887 22.362 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 11 47.216 23.479 -4.778 1.00 0.00 H new ATOM 166 N THR A 12 47.000 23.666 -11.360 1.00 0.00 N ATOM 167 CA THR A 12 47.083 23.867 -12.840 1.00 0.00 C ATOM 168 C THR A 12 48.086 22.894 -13.465 1.00 0.00 C ATOM 169 O THR A 12 47.778 22.270 -14.463 1.00 0.00 O ATOM 170 CB THR A 12 47.507 25.326 -13.136 1.00 0.00 C ATOM 171 OG1 THR A 12 48.737 25.523 -12.450 1.00 0.00 O ATOM 172 CG2 THR A 12 46.525 26.329 -12.509 1.00 0.00 C ATOM 0 H THR A 12 47.886 23.766 -10.865 1.00 0.00 H new ATOM 0 HA THR A 12 46.103 23.674 -13.277 1.00 0.00 H new ATOM 0 HB THR A 12 47.555 25.477 -14.214 1.00 0.00 H new ATOM 0 HG1 THR A 12 49.055 26.437 -12.605 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.849 27.345 -12.734 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.528 26.167 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.500 26.187 -11.429 1.00 0.00 H new ATOM 180 N CYS A 13 49.249 22.790 -12.866 1.00 0.00 N ATOM 181 CA CYS A 13 50.285 21.862 -13.412 1.00 0.00 C ATOM 182 C CYS A 13 50.904 20.923 -12.371 1.00 0.00 C ATOM 183 O CYS A 13 51.950 21.216 -11.818 1.00 0.00 O ATOM 184 CB CYS A 13 51.438 22.659 -14.061 1.00 0.00 C ATOM 185 SG CYS A 13 52.746 21.594 -14.725 1.00 0.00 S ATOM 0 H CYS A 13 49.522 23.304 -12.029 1.00 0.00 H new ATOM 0 HA CYS A 13 49.752 21.251 -14.140 1.00 0.00 H new ATOM 0 HB2 CYS A 13 51.038 23.278 -14.864 1.00 0.00 H new ATOM 0 HB3 CYS A 13 51.867 23.335 -13.321 1.00 0.00 H new ATOM 190 N ALA A 14 50.249 19.815 -12.117 1.00 0.00 N ATOM 191 CA ALA A 14 50.817 18.863 -11.116 1.00 0.00 C ATOM 192 C ALA A 14 50.271 17.431 -11.229 1.00 0.00 C ATOM 193 O ALA A 14 49.113 17.162 -10.979 1.00 0.00 O ATOM 194 CB ALA A 14 50.538 19.445 -9.731 1.00 0.00 C ATOM 0 H ALA A 14 49.368 19.535 -12.548 1.00 0.00 H new ATOM 0 HA ALA A 14 51.886 18.762 -11.305 1.00 0.00 H new ATOM 0 HB1 ALA A 14 50.938 18.777 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 14 51.014 20.422 -9.644 1.00 0.00 H new ATOM 0 HB3 ALA A 14 49.462 19.552 -9.591 1.00 0.00 H new ATOM 200 N SER A 15 51.178 16.564 -11.604 1.00 0.00 N ATOM 201 CA SER A 15 50.917 15.103 -11.796 1.00 0.00 C ATOM 202 C SER A 15 50.272 14.388 -10.593 1.00 0.00 C ATOM 203 O SER A 15 50.207 14.912 -9.497 1.00 0.00 O ATOM 204 CB SER A 15 52.261 14.453 -12.138 1.00 0.00 C ATOM 205 OG SER A 15 52.010 13.072 -12.364 1.00 0.00 O ATOM 0 H SER A 15 52.145 16.828 -11.795 1.00 0.00 H new ATOM 0 HA SER A 15 50.181 15.001 -12.593 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.699 14.915 -13.023 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.973 14.587 -11.323 1.00 0.00 H new ATOM 0 HG SER A 15 52.662 12.535 -11.867 1.00 0.00 H new ATOM 211 N SER A 16 49.820 13.188 -10.874 1.00 0.00 N ATOM 212 CA SER A 16 49.159 12.312 -9.856 1.00 0.00 C ATOM 213 C SER A 16 50.210 11.564 -9.009 1.00 0.00 C ATOM 214 O SER A 16 49.942 10.512 -8.462 1.00 0.00 O ATOM 215 CB SER A 16 48.239 11.341 -10.631 1.00 0.00 C ATOM 216 OG SER A 16 47.570 10.578 -9.637 1.00 0.00 O ATOM 0 H SER A 16 49.885 12.767 -11.801 1.00 0.00 H new ATOM 0 HA SER A 16 48.571 12.900 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 16 47.528 11.886 -11.252 1.00 0.00 H new ATOM 0 HB3 SER A 16 48.817 10.699 -11.296 1.00 0.00 H new ATOM 0 HG SER A 16 48.205 10.329 -8.933 1.00 0.00 H new ATOM 222 N CYS A 17 51.384 12.142 -8.937 1.00 0.00 N ATOM 223 CA CYS A 17 52.516 11.559 -8.151 1.00 0.00 C ATOM 224 C CYS A 17 52.786 12.411 -6.887 1.00 0.00 C ATOM 225 O CYS A 17 53.757 13.137 -6.813 1.00 0.00 O ATOM 226 CB CYS A 17 53.726 11.485 -9.118 1.00 0.00 C ATOM 227 SG CYS A 17 54.065 12.859 -10.248 1.00 0.00 S ATOM 0 H CYS A 17 51.611 13.020 -9.405 1.00 0.00 H new ATOM 0 HA CYS A 17 52.294 10.559 -7.779 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.619 11.337 -8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.602 10.588 -9.725 1.00 0.00 H new ATOM 232 N PRO A 18 51.898 12.279 -5.919 1.00 0.00 N ATOM 233 CA PRO A 18 51.657 13.292 -4.866 1.00 0.00 C ATOM 234 C PRO A 18 52.898 13.756 -4.096 1.00 0.00 C ATOM 235 O PRO A 18 53.871 13.035 -3.981 1.00 0.00 O ATOM 236 CB PRO A 18 50.668 12.603 -3.896 1.00 0.00 C ATOM 237 CG PRO A 18 50.762 11.163 -4.223 1.00 0.00 C ATOM 238 CD PRO A 18 50.999 11.126 -5.697 1.00 0.00 C ATOM 0 HA PRO A 18 51.288 14.207 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.937 12.791 -2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.653 12.975 -4.035 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.576 10.685 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.847 10.635 -3.955 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.460 10.189 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 18 50.070 11.225 -6.258 1.00 0.00 H new ATOM 246 N LYS A 19 52.781 14.962 -3.602 1.00 0.00 N ATOM 247 CA LYS A 19 53.846 15.625 -2.818 1.00 0.00 C ATOM 248 C LYS A 19 53.342 15.513 -1.384 1.00 0.00 C ATOM 249 O LYS A 19 52.291 16.031 -1.053 1.00 0.00 O ATOM 250 CB LYS A 19 53.940 17.071 -3.266 1.00 0.00 C ATOM 251 CG LYS A 19 54.940 17.821 -2.373 1.00 0.00 C ATOM 252 CD LYS A 19 54.936 19.333 -2.682 1.00 0.00 C ATOM 253 CE LYS A 19 53.505 19.929 -2.597 1.00 0.00 C ATOM 254 NZ LYS A 19 52.881 19.693 -1.280 1.00 0.00 N ATOM 0 H LYS A 19 51.945 15.534 -3.722 1.00 0.00 H new ATOM 0 HA LYS A 19 54.839 15.191 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.258 17.120 -4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 19 52.960 17.545 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 19 54.688 17.660 -1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 19 55.941 17.418 -2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 19 55.589 19.850 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.343 19.502 -3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 19 53.547 21.001 -2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.883 19.489 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 51.921 20.093 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 52.831 18.670 -1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 53.451 20.149 -0.539 1.00 0.00 H new ATOM 268 N THR A 20 54.117 14.837 -0.587 1.00 0.00 N ATOM 269 CA THR A 20 53.752 14.637 0.843 1.00 0.00 C ATOM 270 C THR A 20 54.889 15.096 1.758 1.00 0.00 C ATOM 271 O THR A 20 55.859 15.669 1.300 1.00 0.00 O ATOM 272 CB THR A 20 53.468 13.134 1.049 1.00 0.00 C ATOM 273 OG1 THR A 20 54.700 12.483 0.768 1.00 0.00 O ATOM 274 CG2 THR A 20 52.531 12.571 -0.043 1.00 0.00 C ATOM 0 H THR A 20 54.999 14.409 -0.868 1.00 0.00 H new ATOM 0 HA THR A 20 52.871 15.228 1.093 1.00 0.00 H new ATOM 0 HB THR A 20 53.043 12.989 2.042 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.641 11.542 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.356 11.511 0.139 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.581 13.105 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.994 12.700 -1.021 1.00 0.00 H new ATOM 282 N CYS A 21 54.731 14.833 3.035 1.00 0.00 N ATOM 283 CA CYS A 21 55.791 15.230 4.011 1.00 0.00 C ATOM 284 C CYS A 21 57.088 14.499 3.636 1.00 0.00 C ATOM 285 O CYS A 21 58.174 14.918 3.981 1.00 0.00 O ATOM 286 CB CYS A 21 55.370 14.839 5.425 1.00 0.00 C ATOM 287 SG CYS A 21 53.950 15.670 6.181 1.00 0.00 S ATOM 0 H CYS A 21 53.920 14.364 3.439 1.00 0.00 H new ATOM 0 HA CYS A 21 55.943 16.309 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 21 55.162 13.769 5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.228 14.995 6.079 1.00 0.00 H new ATOM 292 N GLU A 22 56.906 13.412 2.930 1.00 0.00 N ATOM 293 CA GLU A 22 58.054 12.576 2.467 1.00 0.00 C ATOM 294 C GLU A 22 58.886 13.430 1.491 1.00 0.00 C ATOM 295 O GLU A 22 60.099 13.454 1.566 1.00 0.00 O ATOM 296 CB GLU A 22 57.501 11.334 1.757 1.00 0.00 C ATOM 297 CG GLU A 22 56.590 10.553 2.729 1.00 0.00 C ATOM 298 CD GLU A 22 55.964 9.363 1.987 1.00 0.00 C ATOM 299 OE1 GLU A 22 56.586 8.314 1.998 1.00 0.00 O ATOM 300 OE2 GLU A 22 54.891 9.579 1.448 1.00 0.00 O ATOM 0 H GLU A 22 55.990 13.062 2.649 1.00 0.00 H new ATOM 0 HA GLU A 22 58.678 12.254 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.939 11.628 0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 22 58.320 10.699 1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 22 57.167 10.201 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 22 55.809 11.206 3.119 1.00 0.00 H new ATOM 307 N THR A 23 58.190 14.104 0.605 1.00 0.00 N ATOM 308 CA THR A 23 58.861 14.978 -0.407 1.00 0.00 C ATOM 309 C THR A 23 59.149 16.391 0.117 1.00 0.00 C ATOM 310 O THR A 23 60.280 16.651 0.475 1.00 0.00 O ATOM 311 CB THR A 23 57.973 15.066 -1.685 1.00 0.00 C ATOM 312 OG1 THR A 23 56.689 15.498 -1.267 1.00 0.00 O ATOM 313 CG2 THR A 23 57.720 13.695 -2.317 1.00 0.00 C ATOM 0 H THR A 23 57.172 14.084 0.541 1.00 0.00 H new ATOM 0 HA THR A 23 59.824 14.522 -0.637 1.00 0.00 H new ATOM 0 HB THR A 23 58.480 15.720 -2.394 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.609 15.393 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 23 57.097 13.812 -3.203 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.671 13.243 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.212 13.051 -1.599 1.00 0.00 H new ATOM 321 N ARG A 24 58.150 17.252 0.155 1.00 0.00 N ATOM 322 CA ARG A 24 58.306 18.673 0.640 1.00 0.00 C ATOM 323 C ARG A 24 59.201 19.534 -0.255 1.00 0.00 C ATOM 324 O ARG A 24 59.268 20.741 -0.121 1.00 0.00 O ATOM 325 CB ARG A 24 58.901 18.694 2.059 1.00 0.00 C ATOM 326 CG ARG A 24 57.889 18.054 3.020 1.00 0.00 C ATOM 327 CD ARG A 24 58.410 18.020 4.471 1.00 0.00 C ATOM 328 NE ARG A 24 59.623 17.153 4.534 1.00 0.00 N ATOM 329 CZ ARG A 24 60.417 17.160 5.575 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.171 17.936 6.599 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.455 16.371 5.555 1.00 0.00 N ATOM 0 H ARG A 24 57.201 17.021 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 24 57.301 19.096 0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.844 18.148 2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 24 59.118 19.718 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 24 56.953 18.611 2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.668 17.039 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.651 19.028 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.639 17.636 5.139 1.00 0.00 H new ATOM 0 HE ARG A 24 59.839 16.540 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.353 18.545 6.592 1.00 0.00 H new ATOM 0 HH12 ARG A 24 60.797 17.932 7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.627 15.775 4.746 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.095 16.350 6.349 1.00 0.00 H new ATOM 345 N ASN A 25 59.856 18.851 -1.143 1.00 0.00 N ATOM 346 CA ASN A 25 60.789 19.460 -2.116 1.00 0.00 C ATOM 347 C ASN A 25 60.092 20.442 -3.079 1.00 0.00 C ATOM 348 O ASN A 25 60.548 21.559 -3.236 1.00 0.00 O ATOM 349 CB ASN A 25 61.448 18.295 -2.872 1.00 0.00 C ATOM 350 CG ASN A 25 62.141 17.313 -1.909 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.556 17.725 -0.742 1.00 0.00 O flip ATOM 352 ND2 ASN A 25 62.309 16.151 -2.217 1.00 0.00 N flip ATOM 0 H ASN A 25 59.775 17.838 -1.236 1.00 0.00 H new ATOM 0 HA ASN A 25 61.532 20.065 -1.595 1.00 0.00 H new ATOM 0 HB2 ASN A 25 60.693 17.764 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.178 18.687 -3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 25 61.991 15.813 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.769 15.513 -1.568 1.00 0.00 H new ATOM 359 N LYS A 26 59.012 20.012 -3.691 1.00 0.00 N ATOM 360 CA LYS A 26 58.263 20.875 -4.638 1.00 0.00 C ATOM 361 C LYS A 26 57.213 21.670 -3.853 1.00 0.00 C ATOM 362 O LYS A 26 57.059 21.522 -2.655 1.00 0.00 O ATOM 363 CB LYS A 26 57.548 20.002 -5.725 1.00 0.00 C ATOM 364 CG LYS A 26 58.520 19.223 -6.658 1.00 0.00 C ATOM 365 CD LYS A 26 59.378 18.144 -5.954 1.00 0.00 C ATOM 366 CE LYS A 26 58.482 17.080 -5.282 1.00 0.00 C ATOM 367 NZ LYS A 26 59.330 16.020 -4.667 1.00 0.00 N ATOM 0 H LYS A 26 58.618 19.080 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 26 58.957 21.552 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 26 56.890 19.289 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 26 56.916 20.647 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 26 57.938 18.746 -7.447 1.00 0.00 H new ATOM 0 HG3 LYS A 26 59.186 19.937 -7.141 1.00 0.00 H new ATOM 0 HD2 LYS A 26 60.036 17.666 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 26 60.017 18.613 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 26 57.857 17.546 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 26 57.810 16.639 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 58.798 15.127 -4.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 60.189 15.888 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 59.596 16.304 -3.703 1.00 0.00 H new ATOM 381 N LEU A 27 56.536 22.498 -4.596 1.00 0.00 N ATOM 382 CA LEU A 27 55.451 23.378 -4.042 1.00 0.00 C ATOM 383 C LEU A 27 54.165 23.167 -4.857 1.00 0.00 C ATOM 384 O LEU A 27 53.363 24.053 -5.080 1.00 0.00 O ATOM 385 CB LEU A 27 55.839 24.890 -4.121 1.00 0.00 C ATOM 386 CG LEU A 27 57.086 25.317 -3.278 1.00 0.00 C ATOM 387 CD1 LEU A 27 58.426 24.759 -3.819 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.164 26.858 -3.246 1.00 0.00 C ATOM 0 H LEU A 27 56.690 22.610 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 27 55.304 23.109 -2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.025 25.144 -5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.984 25.483 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 27 56.950 24.897 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 59.244 25.097 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.393 23.670 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 27 58.585 25.117 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.030 27.166 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 27 57.259 27.239 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.258 27.259 -2.792 1.00 0.00 H new ATOM 400 N VAL A 28 54.052 21.935 -5.254 1.00 0.00 N ATOM 401 CA VAL A 28 52.910 21.410 -6.071 1.00 0.00 C ATOM 402 C VAL A 28 52.766 19.922 -5.824 1.00 0.00 C ATOM 403 O VAL A 28 53.728 19.264 -5.474 1.00 0.00 O ATOM 404 CB VAL A 28 53.140 21.606 -7.591 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.103 23.101 -7.970 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.534 21.058 -7.996 1.00 0.00 C ATOM 0 H VAL A 28 54.747 21.222 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 28 52.019 21.962 -5.773 1.00 0.00 H new ATOM 0 HB VAL A 28 52.345 21.070 -8.110 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.267 23.209 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.131 23.519 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 28 53.885 23.633 -7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.684 21.201 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.309 21.592 -7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.589 19.995 -7.761 1.00 0.00 H new ATOM 416 N LEU A 29 51.562 19.447 -6.027 1.00 0.00 N ATOM 417 CA LEU A 29 51.257 18.000 -5.825 1.00 0.00 C ATOM 418 C LEU A 29 52.348 17.106 -6.426 1.00 0.00 C ATOM 419 O LEU A 29 52.656 16.048 -5.923 1.00 0.00 O ATOM 420 CB LEU A 29 49.880 17.740 -6.457 1.00 0.00 C ATOM 421 CG LEU A 29 49.435 16.263 -6.295 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.266 15.917 -4.794 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.097 16.059 -7.018 1.00 0.00 C ATOM 0 H LEU A 29 50.767 20.011 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 29 51.234 17.754 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.140 18.394 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 29 49.914 17.994 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 29 50.195 15.611 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 29 48.953 14.878 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.215 16.062 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.510 16.567 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 29 47.778 15.022 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.345 16.718 -6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.216 16.292 -8.076 1.00 0.00 H new ATOM 435 N CYS A 30 52.890 17.595 -7.501 1.00 0.00 N ATOM 436 CA CYS A 30 53.983 16.895 -8.241 1.00 0.00 C ATOM 437 C CYS A 30 54.322 17.796 -9.440 1.00 0.00 C ATOM 438 O CYS A 30 53.626 18.763 -9.687 1.00 0.00 O ATOM 439 CB CYS A 30 53.524 15.502 -8.740 1.00 0.00 C ATOM 440 SG CYS A 30 54.881 14.421 -9.265 1.00 0.00 S ATOM 0 H CYS A 30 52.613 18.485 -7.916 1.00 0.00 H new ATOM 0 HA CYS A 30 54.844 16.729 -7.594 1.00 0.00 H new ATOM 0 HB2 CYS A 30 52.967 15.008 -7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.836 15.635 -9.575 1.00 0.00 H new ATOM 445 N ASP A 31 55.367 17.472 -10.156 1.00 0.00 N ATOM 446 CA ASP A 31 55.765 18.307 -11.337 1.00 0.00 C ATOM 447 C ASP A 31 55.992 17.476 -12.610 1.00 0.00 C ATOM 448 O ASP A 31 56.205 18.020 -13.677 1.00 0.00 O ATOM 449 CB ASP A 31 57.038 19.065 -10.920 1.00 0.00 C ATOM 450 CG ASP A 31 57.512 20.004 -12.044 1.00 0.00 C ATOM 451 OD1 ASP A 31 56.874 21.034 -12.193 1.00 0.00 O ATOM 452 OD2 ASP A 31 58.480 19.637 -12.689 1.00 0.00 O ATOM 0 H ASP A 31 55.965 16.665 -9.977 1.00 0.00 H new ATOM 0 HA ASP A 31 54.960 18.994 -11.598 1.00 0.00 H new ATOM 0 HB2 ASP A 31 56.842 19.643 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 31 57.827 18.353 -10.679 1.00 0.00 H new ATOM 457 N LYS A 32 55.937 16.179 -12.455 1.00 0.00 N ATOM 458 CA LYS A 32 56.142 15.245 -13.611 1.00 0.00 C ATOM 459 C LYS A 32 55.118 15.431 -14.750 1.00 0.00 C ATOM 460 O LYS A 32 55.328 14.934 -15.840 1.00 0.00 O ATOM 461 CB LYS A 32 56.064 13.792 -13.089 1.00 0.00 C ATOM 462 CG LYS A 32 57.128 13.522 -11.989 1.00 0.00 C ATOM 463 CD LYS A 32 58.563 13.717 -12.532 1.00 0.00 C ATOM 464 CE LYS A 32 59.574 13.413 -11.415 1.00 0.00 C ATOM 465 NZ LYS A 32 60.960 13.601 -11.927 1.00 0.00 N ATOM 0 H LYS A 32 55.756 15.717 -11.564 1.00 0.00 H new ATOM 0 HA LYS A 32 57.120 15.471 -14.036 1.00 0.00 H new ATOM 0 HB2 LYS A 32 55.069 13.602 -12.688 1.00 0.00 H new ATOM 0 HB3 LYS A 32 56.212 13.099 -13.917 1.00 0.00 H new ATOM 0 HG2 LYS A 32 56.962 14.194 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 32 57.015 12.505 -11.613 1.00 0.00 H new ATOM 0 HD2 LYS A 32 58.735 13.058 -13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 32 58.694 14.739 -12.888 1.00 0.00 H new ATOM 0 HE2 LYS A 32 59.398 14.070 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 32 59.442 12.391 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 61.641 13.395 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 61.125 12.956 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 61.083 14.584 -12.244 1.00 0.00 H new ATOM 479 N LYS A 33 54.047 16.135 -14.473 1.00 0.00 N ATOM 480 CA LYS A 33 52.987 16.376 -15.506 1.00 0.00 C ATOM 481 C LYS A 33 52.096 17.540 -15.065 1.00 0.00 C ATOM 482 O LYS A 33 51.948 17.794 -13.885 1.00 0.00 O ATOM 483 CB LYS A 33 52.122 15.092 -15.667 1.00 0.00 C ATOM 484 CG LYS A 33 50.996 15.224 -16.724 1.00 0.00 C ATOM 485 CD LYS A 33 51.391 15.066 -18.236 1.00 0.00 C ATOM 486 CE LYS A 33 52.525 15.964 -18.773 1.00 0.00 C ATOM 487 NZ LYS A 33 53.852 15.521 -18.256 1.00 0.00 N ATOM 0 H LYS A 33 53.859 16.559 -13.564 1.00 0.00 H new ATOM 0 HA LYS A 33 53.457 16.622 -16.458 1.00 0.00 H new ATOM 0 HB2 LYS A 33 52.771 14.261 -15.943 1.00 0.00 H new ATOM 0 HB3 LYS A 33 51.676 14.843 -14.704 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.234 14.478 -16.497 1.00 0.00 H new ATOM 0 HG3 LYS A 33 50.532 16.202 -16.599 1.00 0.00 H new ATOM 0 HD2 LYS A 33 51.677 14.027 -18.402 1.00 0.00 H new ATOM 0 HD3 LYS A 33 50.501 15.252 -18.837 1.00 0.00 H new ATOM 0 HE2 LYS A 33 52.529 15.938 -19.863 1.00 0.00 H new ATOM 0 HE3 LYS A 33 52.344 16.998 -18.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 54.319 16.315 -17.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 53.719 14.737 -17.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 54.445 15.202 -19.049 1.00 0.00 H new ATOM 501 N CYS A 34 51.529 18.212 -16.039 1.00 0.00 N ATOM 502 CA CYS A 34 50.636 19.363 -15.735 1.00 0.00 C ATOM 503 C CYS A 34 49.135 19.045 -15.730 1.00 0.00 C ATOM 504 O CYS A 34 48.415 19.266 -16.687 1.00 0.00 O ATOM 505 CB CYS A 34 50.852 20.494 -16.735 1.00 0.00 C ATOM 506 SG CYS A 34 52.373 21.473 -16.705 1.00 0.00 S ATOM 0 H CYS A 34 51.650 18.009 -17.031 1.00 0.00 H new ATOM 0 HA CYS A 34 50.916 19.646 -14.720 1.00 0.00 H new ATOM 0 HB2 CYS A 34 50.768 20.061 -17.732 1.00 0.00 H new ATOM 0 HB3 CYS A 34 50.020 21.189 -16.618 1.00 0.00 H new ATOM 511 N ASN A 35 48.725 18.520 -14.613 1.00 0.00 N ATOM 512 CA ASN A 35 47.288 18.153 -14.414 1.00 0.00 C ATOM 513 C ASN A 35 46.610 19.350 -13.723 1.00 0.00 C ATOM 514 O ASN A 35 46.999 19.732 -12.635 1.00 0.00 O ATOM 515 CB ASN A 35 47.137 16.925 -13.493 1.00 0.00 C ATOM 516 CG ASN A 35 47.915 15.702 -13.995 1.00 0.00 C ATOM 517 OD1 ASN A 35 47.973 14.653 -13.220 1.00 0.00 O flip ATOM 518 ND2 ASN A 35 48.471 15.683 -15.075 1.00 0.00 N flip ATOM 0 H ASN A 35 49.329 18.325 -13.815 1.00 0.00 H new ATOM 0 HA ASN A 35 46.842 17.913 -15.379 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.483 17.183 -12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 35 46.081 16.668 -13.409 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.429 16.500 -15.685 1.00 0.00 H new ATOM 0 HD22 ASN A 35 48.980 14.850 -15.372 1.00 0.00 H new ATOM 525 N GLN A 36 45.621 19.906 -14.377 1.00 0.00 N ATOM 526 CA GLN A 36 44.876 21.075 -13.809 1.00 0.00 C ATOM 527 C GLN A 36 43.618 20.551 -13.110 1.00 0.00 C ATOM 528 O GLN A 36 42.501 20.647 -13.581 1.00 0.00 O ATOM 529 CB GLN A 36 44.511 22.095 -14.961 1.00 0.00 C ATOM 530 CG GLN A 36 43.765 21.491 -16.187 1.00 0.00 C ATOM 531 CD GLN A 36 44.671 20.520 -16.958 1.00 0.00 C ATOM 532 OE1 GLN A 36 45.919 20.849 -17.163 1.00 0.00 O flip ATOM 533 NE2 GLN A 36 44.255 19.459 -17.377 1.00 0.00 N flip ATOM 0 H GLN A 36 45.293 19.597 -15.292 1.00 0.00 H new ATOM 0 HA GLN A 36 45.493 21.606 -13.084 1.00 0.00 H new ATOM 0 HB2 GLN A 36 43.893 22.887 -14.537 1.00 0.00 H new ATOM 0 HB3 GLN A 36 45.431 22.562 -15.313 1.00 0.00 H new ATOM 0 HG2 GLN A 36 42.869 20.969 -15.851 1.00 0.00 H new ATOM 0 HG3 GLN A 36 43.438 22.292 -16.849 1.00 0.00 H new ATOM 0 HE21 GLN A 36 43.282 19.195 -17.221 1.00 0.00 H new ATOM 0 HE22 GLN A 36 44.878 18.832 -17.885 1.00 0.00 H new ATOM 542 N ARG A 37 43.899 19.997 -11.962 1.00 0.00 N ATOM 543 CA ARG A 37 42.856 19.400 -11.074 1.00 0.00 C ATOM 544 C ARG A 37 43.195 19.706 -9.615 1.00 0.00 C ATOM 545 O ARG A 37 43.747 20.748 -9.339 1.00 0.00 O ATOM 546 CB ARG A 37 42.818 17.879 -11.360 1.00 0.00 C ATOM 547 CG ARG A 37 44.213 17.289 -11.128 1.00 0.00 C ATOM 548 CD ARG A 37 44.187 15.783 -11.368 1.00 0.00 C ATOM 549 NE ARG A 37 45.587 15.302 -11.198 1.00 0.00 N ATOM 550 CZ ARG A 37 46.151 15.183 -10.023 1.00 0.00 C ATOM 551 NH1 ARG A 37 45.497 15.472 -8.929 1.00 0.00 N ATOM 552 NH2 ARG A 37 47.383 14.771 -9.991 1.00 0.00 N ATOM 0 H ARG A 37 44.846 19.931 -11.588 1.00 0.00 H new ATOM 0 HA ARG A 37 41.870 19.822 -11.267 1.00 0.00 H new ATOM 0 HB2 ARG A 37 42.091 17.392 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.499 17.697 -12.386 1.00 0.00 H new ATOM 0 HG2 ARG A 37 44.932 17.760 -11.798 1.00 0.00 H new ATOM 0 HG3 ARG A 37 44.541 17.498 -10.110 1.00 0.00 H new ATOM 0 HD2 ARG A 37 43.519 15.289 -10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 37 43.818 15.556 -12.368 1.00 0.00 H new ATOM 0 HE ARG A 37 46.126 15.056 -12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 37 44.531 15.796 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 37 45.952 15.373 -8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 37 47.871 14.555 -10.860 1.00 0.00 H new ATOM 0 HH22 ARG A 37 47.862 14.664 -9.097 1.00 0.00 H new ATOM 566 N CYS A 38 42.873 18.812 -8.718 1.00 0.00 N ATOM 567 CA CYS A 38 43.182 19.074 -7.274 1.00 0.00 C ATOM 568 C CYS A 38 44.619 18.686 -6.863 1.00 0.00 C ATOM 569 O CYS A 38 45.307 17.964 -7.558 1.00 0.00 O ATOM 570 CB CYS A 38 42.200 18.301 -6.365 1.00 0.00 C ATOM 571 SG CYS A 38 42.510 18.651 -4.617 1.00 0.00 S ATOM 0 H CYS A 38 42.415 17.922 -8.915 1.00 0.00 H new ATOM 0 HA CYS A 38 43.078 20.152 -7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.175 18.575 -6.617 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.298 17.231 -6.547 1.00 0.00 H new ATOM 576 N GLY A 39 45.003 19.205 -5.721 1.00 0.00 N ATOM 577 CA GLY A 39 46.353 18.970 -5.115 1.00 0.00 C ATOM 578 C GLY A 39 46.480 19.832 -3.855 1.00 0.00 C ATOM 579 O GLY A 39 45.695 20.742 -3.671 1.00 0.00 O ATOM 0 H GLY A 39 44.405 19.811 -5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.478 17.916 -4.866 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.137 19.224 -5.828 1.00 0.00 H new ATOM 583 N CYS A 40 47.451 19.543 -3.016 1.00 0.00 N ATOM 584 CA CYS A 40 47.623 20.352 -1.770 1.00 0.00 C ATOM 585 C CYS A 40 47.836 21.826 -2.058 1.00 0.00 C ATOM 586 O CYS A 40 48.122 22.222 -3.171 1.00 0.00 O ATOM 587 CB CYS A 40 48.825 19.867 -0.960 1.00 0.00 C ATOM 588 SG CYS A 40 48.752 18.211 -0.247 1.00 0.00 S ATOM 0 H CYS A 40 48.125 18.788 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 40 46.698 20.223 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 40 49.703 19.915 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 40 48.987 20.574 -0.147 1.00 0.00 H new ATOM 593 N ILE A 41 47.689 22.590 -1.011 1.00 0.00 N ATOM 594 CA ILE A 41 47.863 24.062 -1.134 1.00 0.00 C ATOM 595 C ILE A 41 49.361 24.267 -1.413 1.00 0.00 C ATOM 596 O ILE A 41 50.174 23.426 -1.077 1.00 0.00 O ATOM 597 CB ILE A 41 47.506 24.787 0.185 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.225 24.216 0.884 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.270 26.279 -0.148 1.00 0.00 C ATOM 600 CD1 ILE A 41 44.978 24.201 -0.013 1.00 0.00 C ATOM 0 H ILE A 41 47.456 22.257 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 41 47.215 24.463 -1.914 1.00 0.00 H new ATOM 0 HB ILE A 41 48.332 24.640 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 41 46.430 23.200 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 41 46.013 24.810 1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 41 47.016 26.819 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.176 26.703 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 41 46.452 26.367 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.135 23.792 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 41 44.745 25.218 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.168 23.583 -0.890 1.00 0.00 H new ATOM 612 N SER A 42 49.677 25.379 -2.016 1.00 0.00 N ATOM 613 CA SER A 42 51.106 25.682 -2.333 1.00 0.00 C ATOM 614 C SER A 42 51.761 26.166 -1.033 1.00 0.00 C ATOM 615 O SER A 42 51.801 27.342 -0.727 1.00 0.00 O ATOM 616 CB SER A 42 51.149 26.767 -3.430 1.00 0.00 C ATOM 617 OG SER A 42 52.535 26.961 -3.675 1.00 0.00 O ATOM 0 H SER A 42 49.009 26.094 -2.304 1.00 0.00 H new ATOM 0 HA SER A 42 51.642 24.809 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.627 26.444 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.671 27.688 -3.098 1.00 0.00 H new ATOM 0 HG SER A 42 52.908 26.158 -4.095 1.00 0.00 H new ATOM 623 N GLY A 43 52.255 25.191 -0.318 1.00 0.00 N ATOM 624 CA GLY A 43 52.934 25.423 0.987 1.00 0.00 C ATOM 625 C GLY A 43 52.672 24.218 1.896 1.00 0.00 C ATOM 626 O GLY A 43 53.399 23.997 2.844 1.00 0.00 O ATOM 0 H GLY A 43 52.213 24.211 -0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.005 25.558 0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.560 26.335 1.451 1.00 0.00 H new ATOM 630 N THR A 44 51.637 23.476 1.573 1.00 0.00 N ATOM 631 CA THR A 44 51.259 22.267 2.367 1.00 0.00 C ATOM 632 C THR A 44 51.482 21.018 1.535 1.00 0.00 C ATOM 633 O THR A 44 51.338 21.039 0.330 1.00 0.00 O ATOM 634 CB THR A 44 49.769 22.305 2.775 1.00 0.00 C ATOM 635 OG1 THR A 44 49.005 22.358 1.574 1.00 0.00 O ATOM 636 CG2 THR A 44 49.426 23.586 3.505 1.00 0.00 C ATOM 0 H THR A 44 51.028 23.664 0.776 1.00 0.00 H new ATOM 0 HA THR A 44 51.879 22.256 3.263 1.00 0.00 H new ATOM 0 HB THR A 44 49.566 21.439 3.405 1.00 0.00 H new ATOM 0 HG1 THR A 44 48.117 21.976 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.370 23.578 3.777 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.032 23.664 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 49.628 24.439 2.857 1.00 0.00 H new ATOM 644 N VAL A 45 51.825 19.979 2.243 1.00 0.00 N ATOM 645 CA VAL A 45 52.089 18.643 1.637 1.00 0.00 C ATOM 646 C VAL A 45 51.113 17.617 2.187 1.00 0.00 C ATOM 647 O VAL A 45 50.870 17.576 3.375 1.00 0.00 O ATOM 648 CB VAL A 45 53.539 18.168 1.946 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.557 18.982 1.171 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.892 18.345 3.437 1.00 0.00 C ATOM 0 H VAL A 45 51.937 20.003 3.257 1.00 0.00 H new ATOM 0 HA VAL A 45 51.964 18.737 0.558 1.00 0.00 H new ATOM 0 HB VAL A 45 53.573 17.116 1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.561 18.628 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.374 18.871 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.469 20.033 1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.912 18.002 3.613 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.811 19.398 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.203 17.760 4.046 1.00 0.00 H new ATOM 660 N LEU A 46 50.594 16.818 1.288 1.00 0.00 N ATOM 661 CA LEU A 46 49.615 15.749 1.650 1.00 0.00 C ATOM 662 C LEU A 46 50.289 14.878 2.721 1.00 0.00 C ATOM 663 O LEU A 46 51.096 14.036 2.389 1.00 0.00 O ATOM 664 CB LEU A 46 49.298 14.955 0.359 1.00 0.00 C ATOM 665 CG LEU A 46 48.209 13.875 0.582 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.864 14.561 0.918 1.00 0.00 C ATOM 667 CD2 LEU A 46 48.056 13.024 -0.697 1.00 0.00 C ATOM 0 H LEU A 46 50.815 16.864 0.293 1.00 0.00 H new ATOM 0 HA LEU A 46 48.677 16.133 2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 46 48.968 15.645 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.209 14.479 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 46 48.501 13.229 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 46 46.098 13.802 1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.976 15.157 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.570 15.209 0.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 47.290 12.265 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.765 13.666 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 46 49.005 12.540 -0.927 1.00 0.00 H new ATOM 679 N LYS A 47 49.923 15.138 3.955 1.00 0.00 N ATOM 680 CA LYS A 47 50.444 14.427 5.174 1.00 0.00 C ATOM 681 C LYS A 47 51.253 13.139 4.914 1.00 0.00 C ATOM 682 O LYS A 47 52.369 13.013 5.379 1.00 0.00 O ATOM 683 CB LYS A 47 49.223 14.128 6.082 1.00 0.00 C ATOM 684 CG LYS A 47 49.625 13.416 7.403 1.00 0.00 C ATOM 685 CD LYS A 47 50.578 14.308 8.239 1.00 0.00 C ATOM 686 CE LYS A 47 50.951 13.593 9.549 1.00 0.00 C ATOM 687 NZ LYS A 47 49.728 13.327 10.361 1.00 0.00 N ATOM 0 H LYS A 47 49.240 15.861 4.180 1.00 0.00 H new ATOM 0 HA LYS A 47 51.171 15.089 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.712 15.062 6.317 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.514 13.504 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 47 48.732 13.185 7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.112 12.467 7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 47 51.479 14.529 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 47 50.098 15.262 8.459 1.00 0.00 H new ATOM 0 HE2 LYS A 47 51.459 12.655 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 47 51.648 14.206 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 50.001 13.133 11.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 49.104 14.159 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 49.225 12.504 9.972 1.00 0.00 H new ATOM 701 N SER A 48 50.661 12.231 4.180 1.00 0.00 N ATOM 702 CA SER A 48 51.334 10.935 3.851 1.00 0.00 C ATOM 703 C SER A 48 51.197 10.612 2.373 1.00 0.00 C ATOM 704 O SER A 48 50.493 11.294 1.653 1.00 0.00 O ATOM 705 CB SER A 48 50.696 9.816 4.697 1.00 0.00 C ATOM 706 OG SER A 48 50.918 10.221 6.042 1.00 0.00 O ATOM 0 H SER A 48 49.725 12.334 3.788 1.00 0.00 H new ATOM 0 HA SER A 48 52.397 11.016 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.632 9.713 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.157 8.850 4.491 1.00 0.00 H new ATOM 0 HG SER A 48 50.536 9.555 6.651 1.00 0.00 H new ATOM 712 N LYS A 49 51.904 9.564 2.014 1.00 0.00 N ATOM 713 CA LYS A 49 51.974 8.998 0.624 1.00 0.00 C ATOM 714 C LYS A 49 50.659 9.226 -0.118 1.00 0.00 C ATOM 715 O LYS A 49 50.645 9.541 -1.292 1.00 0.00 O ATOM 716 CB LYS A 49 52.332 7.487 0.808 1.00 0.00 C ATOM 717 CG LYS A 49 52.540 6.654 -0.496 1.00 0.00 C ATOM 718 CD LYS A 49 51.244 6.440 -1.316 1.00 0.00 C ATOM 719 CE LYS A 49 51.548 5.534 -2.518 1.00 0.00 C ATOM 720 NZ LYS A 49 50.306 5.327 -3.315 1.00 0.00 N ATOM 0 H LYS A 49 52.475 9.043 2.679 1.00 0.00 H new ATOM 0 HA LYS A 49 52.727 9.487 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 49 53.243 7.423 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 49 51.539 7.017 1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 49 53.276 7.157 -1.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 52.956 5.682 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.475 5.988 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.854 7.399 -1.658 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.320 5.986 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.936 4.575 -2.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.514 4.713 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.582 4.878 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.955 6.245 -3.655 1.00 0.00 H new ATOM 734 N ASP A 50 49.593 9.072 0.625 1.00 0.00 N ATOM 735 CA ASP A 50 48.238 9.261 0.032 1.00 0.00 C ATOM 736 C ASP A 50 47.203 9.534 1.136 1.00 0.00 C ATOM 737 O ASP A 50 46.283 8.769 1.360 1.00 0.00 O ATOM 738 CB ASP A 50 47.885 7.976 -0.777 1.00 0.00 C ATOM 739 CG ASP A 50 46.514 8.136 -1.464 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.445 8.982 -2.343 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.615 7.409 -1.076 1.00 0.00 O ATOM 0 H ASP A 50 49.604 8.824 1.614 1.00 0.00 H new ATOM 0 HA ASP A 50 48.228 10.124 -0.634 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.654 7.786 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 50 47.868 7.113 -0.112 1.00 0.00 H new ATOM 746 N SER A 51 47.399 10.642 1.804 1.00 0.00 N ATOM 747 CA SER A 51 46.475 11.054 2.909 1.00 0.00 C ATOM 748 C SER A 51 45.287 11.802 2.253 1.00 0.00 C ATOM 749 O SER A 51 44.990 11.572 1.096 1.00 0.00 O ATOM 750 CB SER A 51 47.298 11.946 3.868 1.00 0.00 C ATOM 751 OG SER A 51 46.444 12.240 4.964 1.00 0.00 O ATOM 0 H SER A 51 48.169 11.288 1.630 1.00 0.00 H new ATOM 0 HA SER A 51 46.069 10.221 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 51 48.198 11.431 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.621 12.860 3.369 1.00 0.00 H new ATOM 0 HG SER A 51 46.912 12.050 5.804 1.00 0.00 H new ATOM 757 N SER A 52 44.643 12.666 2.995 1.00 0.00 N ATOM 758 CA SER A 52 43.480 13.457 2.476 1.00 0.00 C ATOM 759 C SER A 52 43.653 14.928 2.893 1.00 0.00 C ATOM 760 O SER A 52 43.092 15.811 2.277 1.00 0.00 O ATOM 761 CB SER A 52 42.188 12.878 3.069 1.00 0.00 C ATOM 762 OG SER A 52 41.144 13.656 2.497 1.00 0.00 O ATOM 0 H SER A 52 44.880 12.863 3.967 1.00 0.00 H new ATOM 0 HA SER A 52 43.430 13.402 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 52 42.077 11.823 2.820 1.00 0.00 H new ATOM 0 HB3 SER A 52 42.185 12.951 4.157 1.00 0.00 H new ATOM 0 HG SER A 52 40.279 13.340 2.832 1.00 0.00 H new ATOM 768 N GLU A 53 44.427 15.129 3.932 1.00 0.00 N ATOM 769 CA GLU A 53 44.709 16.497 4.472 1.00 0.00 C ATOM 770 C GLU A 53 46.193 16.792 4.233 1.00 0.00 C ATOM 771 O GLU A 53 47.015 15.895 4.231 1.00 0.00 O ATOM 772 CB GLU A 53 44.390 16.517 5.978 1.00 0.00 C ATOM 773 CG GLU A 53 44.647 17.930 6.556 1.00 0.00 C ATOM 774 CD GLU A 53 44.335 17.924 8.060 1.00 0.00 C ATOM 775 OE1 GLU A 53 43.174 18.128 8.377 1.00 0.00 O ATOM 776 OE2 GLU A 53 45.278 17.715 8.808 1.00 0.00 O ATOM 0 H GLU A 53 44.889 14.377 4.444 1.00 0.00 H new ATOM 0 HA GLU A 53 44.097 17.253 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.351 16.232 6.142 1.00 0.00 H new ATOM 0 HB3 GLU A 53 45.007 15.785 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 53 45.684 18.222 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.023 18.664 6.046 1.00 0.00 H new ATOM 783 N CYS A 54 46.472 18.056 4.045 1.00 0.00 N ATOM 784 CA CYS A 54 47.867 18.516 3.797 1.00 0.00 C ATOM 785 C CYS A 54 48.309 19.419 4.955 1.00 0.00 C ATOM 786 O CYS A 54 47.533 20.190 5.486 1.00 0.00 O ATOM 787 CB CYS A 54 47.882 19.281 2.487 1.00 0.00 C ATOM 788 SG CYS A 54 47.205 18.449 1.029 1.00 0.00 S ATOM 0 H CYS A 54 45.776 18.802 4.054 1.00 0.00 H new ATOM 0 HA CYS A 54 48.554 17.672 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.329 20.209 2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.914 19.556 2.269 1.00 0.00 H new ATOM 793 N VAL A 55 49.560 19.276 5.296 1.00 0.00 N ATOM 794 CA VAL A 55 50.204 20.053 6.397 1.00 0.00 C ATOM 795 C VAL A 55 51.538 20.605 5.901 1.00 0.00 C ATOM 796 O VAL A 55 52.224 19.926 5.168 1.00 0.00 O ATOM 797 CB VAL A 55 50.436 19.120 7.619 1.00 0.00 C ATOM 798 CG1 VAL A 55 49.075 18.694 8.216 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.185 17.831 7.191 1.00 0.00 C ATOM 0 H VAL A 55 50.192 18.621 4.834 1.00 0.00 H new ATOM 0 HA VAL A 55 49.560 20.879 6.698 1.00 0.00 H new ATOM 0 HB VAL A 55 51.028 19.669 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.242 18.040 9.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.525 19.579 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.497 18.162 7.461 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.337 17.193 8.061 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.594 17.296 6.448 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.152 18.097 6.763 1.00 0.00 H new ATOM 809 N HIS A 56 51.879 21.805 6.300 1.00 0.00 N ATOM 810 CA HIS A 56 53.175 22.412 5.855 1.00 0.00 C ATOM 811 C HIS A 56 54.369 21.520 6.247 1.00 0.00 C ATOM 812 O HIS A 56 54.255 20.729 7.163 1.00 0.00 O ATOM 813 CB HIS A 56 53.333 23.794 6.508 1.00 0.00 C ATOM 814 CG HIS A 56 52.208 24.720 6.040 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.254 25.459 4.980 1.00 0.00 N ATOM 816 CD2 HIS A 56 50.963 24.983 6.584 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.151 26.125 4.862 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.317 25.859 5.837 1.00 0.00 N ATOM 0 H HIS A 56 51.316 22.393 6.915 1.00 0.00 H new ATOM 0 HA HIS A 56 53.161 22.506 4.769 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.310 23.698 7.594 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.301 24.222 6.246 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.042 25.509 4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.576 24.537 7.488 1.00 0.00 H new ATOM 0 HE1 HIS A 56 50.943 26.816 4.058 1.00 0.00 H new ATOM 826 N PRO A 57 55.476 21.662 5.550 1.00 0.00 N ATOM 827 CA PRO A 57 56.715 20.928 5.882 1.00 0.00 C ATOM 828 C PRO A 57 57.167 21.202 7.325 1.00 0.00 C ATOM 829 O PRO A 57 57.783 20.359 7.948 1.00 0.00 O ATOM 830 CB PRO A 57 57.742 21.476 4.866 1.00 0.00 C ATOM 831 CG PRO A 57 57.161 22.753 4.380 1.00 0.00 C ATOM 832 CD PRO A 57 55.684 22.530 4.372 1.00 0.00 C ATOM 0 HA PRO A 57 56.589 19.847 5.822 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.713 21.638 5.335 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.897 20.776 4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.431 23.583 5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.528 22.999 3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.133 23.467 4.458 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.353 22.049 3.452 1.00 0.00 H new ATOM 840 N SER A 58 56.827 22.380 7.784 1.00 0.00 N ATOM 841 CA SER A 58 57.180 22.823 9.167 1.00 0.00 C ATOM 842 C SER A 58 56.325 22.113 10.231 1.00 0.00 C ATOM 843 O SER A 58 56.729 22.006 11.373 1.00 0.00 O ATOM 844 CB SER A 58 56.973 24.346 9.252 1.00 0.00 C ATOM 845 OG SER A 58 55.598 24.544 8.943 1.00 0.00 O ATOM 0 H SER A 58 56.306 23.070 7.243 1.00 0.00 H new ATOM 0 HA SER A 58 58.219 22.563 9.367 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.213 24.723 10.246 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.617 24.873 8.547 1.00 0.00 H new ATOM 0 HG SER A 58 55.389 25.501 8.979 1.00 0.00 H new ATOM 851 N LYS A 59 55.170 21.648 9.819 1.00 0.00 N ATOM 852 CA LYS A 59 54.242 20.937 10.755 1.00 0.00 C ATOM 853 C LYS A 59 54.635 19.472 10.783 1.00 0.00 C ATOM 854 O LYS A 59 54.841 18.892 11.831 1.00 0.00 O ATOM 855 CB LYS A 59 52.803 20.983 10.274 1.00 0.00 C ATOM 856 CG LYS A 59 52.278 22.401 10.137 1.00 0.00 C ATOM 857 CD LYS A 59 50.850 22.317 9.556 1.00 0.00 C ATOM 858 CE LYS A 59 49.857 21.620 10.515 1.00 0.00 C ATOM 859 NZ LYS A 59 49.794 22.355 11.809 1.00 0.00 N ATOM 0 H LYS A 59 54.827 21.732 8.862 1.00 0.00 H new ATOM 0 HA LYS A 59 54.315 21.422 11.728 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.729 20.478 9.311 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.173 20.432 10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 59 52.268 22.901 11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 59 52.924 22.987 9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 59 50.492 23.323 9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 59 50.878 21.775 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.867 21.582 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.168 20.590 10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 48.968 22.032 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 50.660 22.171 12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 49.711 23.375 11.625 1.00 0.00 H new ATOM 873 N CYS A 60 54.710 18.955 9.582 1.00 0.00 N ATOM 874 CA CYS A 60 55.072 17.535 9.347 1.00 0.00 C ATOM 875 C CYS A 60 56.082 16.958 10.364 1.00 0.00 C ATOM 876 O CYS A 60 57.127 17.574 10.504 1.00 0.00 O ATOM 877 CB CYS A 60 55.655 17.395 7.931 1.00 0.00 C ATOM 878 SG CYS A 60 54.616 17.558 6.461 1.00 0.00 S ATOM 879 OXT CYS A 60 55.748 15.936 10.940 1.00 0.00 O ATOM 0 H CYS A 60 54.527 19.483 8.729 1.00 0.00 H new ATOM 0 HA CYS A 60 54.153 16.962 9.468 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.450 18.136 7.841 1.00 0.00 H new ATOM 0 HB3 CYS A 60 56.127 16.414 7.878 1.00 0.00 H new